SCHEMBL9045259

SCHEMBL9045259

C#Cc1ccc(C(=O)NC(CCC(=O)OC)C(=O)OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
TAS1R3 Q7RTX0 11/20 0.44
TAS1R1 Q7RTX1 11/20 0.44
MAPK14 Q16539 2/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
ALB P02768 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7885635 1.00 L3MBTL1 (0.48) L3MBTL1CA12CA1CA2CA9
SCHEMBL7885639 1.00 L3MBTL1 (0.48) L3MBTL1CA12CA1CA2CA9
SCHEMBL9258349 0.85 L3MBTL1 (0.56) L3MBTL1TAS1R3TAS1R1ALDH1A1ALB
SCHEMBL9380511 0.85 L3MBTL1 (0.56) L3MBTL1TAS1R3TAS1R1ALDH1A1ALB
SCHEMBL20299842 0.84 TAS1R3 (0.48) L3MBTL1CA1CA2TAS1R3TAS1R1
SCHEMBL15235710 0.84 TAS1R3 (0.48) L3MBTL1CA1CA2TAS1R3TAS1R1
SCHEMBL20299845 0.84 TAS1R3 (0.48) L3MBTL1CA1CA2TAS1R3TAS1R1
SCHEMBL8972761 0.84 L3MBTL1 (0.52) L3MBTL1CA12CA1CA2CA9
SCHEMBL8819493 0.83 GRM5 (0.43) L3MBTL1CA12CA1CA2CA9
SCHEMBL24142085 0.83 L3MBTL1 (0.51) L3MBTL1CA12CA1CA2CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432677-B1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives UNIV PRINCETON (US) 1996-03-06 EP disclosed
CN-1030608-C N-(pyrrolo {2,3-d} pyrimidin-3-ylacyl)-glutamic acid derivatives UNIV PRINCETON (US) 1996-01-03 CN disclosed
US-5344932-A N-(pyrrolo(2,3-d)pyrimidin-3-ylacyl)-glutamic acid derivatives TRUSTEES OF PRINCETON UNIVERSITY (US) 1994-09-06 US disclosed
US-5248775-A Pyrrolo(2,3-d)pyrimidines THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1993-09-28 US disclosed
EP-0432677-A1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-06-19 EP disclosed